General Information of the Compound
| Compound ID |
CP0554894
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| Compound Name |
3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N'-methyl-N-naphthalen-2-ylmethyl-hydrazino]-N-((R)-2-oxo-azepan-3-yl)-propionamide
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| Structure |
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| Formula |
C30H30F6N4O3
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| Molecular Weight |
608.583
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| Canonical SMILES |
CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C30H30F6N4O3/c1-39(28(43)22-15-23(29(31,32)33)17-24(16-22)30(34,35)36)40(18-19-9-10-20-6-2-3-7-21(20)14-19)13-11-26(41)38-25-8-4-5-12-37-27(25)42/h2-3,6-7,9-10,14-17,25H,4-5,8,11-13,18H2,1H3,(H,37,42)(H,38,41)/t25-/m1/s1
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| InChIKey |
BQQPFEHFEMWIFM-RUZDIDTESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound